7-chloro-N-[[5-(4-methylphenyl)-1H-imidazol-2-yl]methyl]quinolin-4-amine

C20H17ClN4 — CID 71461745

IUPAC7-chloro-N-[[5-(4-methylphenyl)-1H-imidazol-2-yl]methyl]quinolin-4-amine
SMILESCc1ccc(-c2cnc(CNc3ccnc4cc(Cl)ccc34)[nH]2)cc1
InChIInChI=1S/C20H17ClN4/c1-13-2-4-14(5-3-13)19-11-24-20(25-19)12-23-17-8-9-22-18-10-15(21)6-7-16(17)18/h2-11H,12H2,1H3,(H,22,23)(H,24,25)
InChIKeyMRPQZBSRTQJOIS-UHFFFAOYSA-N
MW348.84 g/mol
LogP5.20
Rot. Bonds4

About 7-chloro-N-[[5-(4-methylphenyl)-1H-imidazol-2-yl]methyl]quinolin-4-amine

7-chloro-N-[[5-(4-methylphenyl)-1H-imidazol-2-yl]methyl]quinolin-4-amine (PubChem CID 71461745) has the molecular formula C20H17ClN4 and a molecular weight of 348.84 g/mol. Its IUPAC name is 7-chloro-N-[[5-(4-methylphenyl)-1H-imidazol-2-yl]methyl]quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[[5-(4-methylphenyl)-1H-imidazol-2-yl]methyl]quinolin-4-amine
PubChem CID71461745
Molecular FormulaC20H17ClN4
Molecular Weight348.84 g/mol
Exact Mass348.11
IUPAC Name7-chloro-N-[[5-(4-methylphenyl)-1H-imidazol-2-yl]methyl]quinolin-4-amine
SMILESCc1ccc(-c2cnc(CNc3ccnc4cc(Cl)ccc34)[nH]2)cc1
InChIInChI=1S/C20H17ClN4/c1-13-2-4-14(5-3-13)19-11-24-20(25-19)12-23-17-8-9-22-18-10-15(21)6-7-16(17)18/h2-11H,12H2,1H3,(H,22,23)(H,24,25)
InChIKeyMRPQZBSRTQJOIS-UHFFFAOYSA-N
XLogP5.20
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.84
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

CID 10409748
CID 10409748
CID 10433026
CID 10433026
7-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinolin-4-amine
CID 103703190
7-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]quinolin-4-amine
CID 106374323
(E)-N,N'-bis(7-chloroquinolin-4-yl)but-2-ene-1,4-diamine
CID 18933493
N-butyl-7-chloroquinolin-4-amine
CID 10037042
N,N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine;hydrochloride
CID 44531641
N'-[[[(7-chloroquinolin-4-yl)amino]methyl-methylamino]methoxymethyl]-N'-methyl-N-(7-methylquinolin-4-yl)methanediamine
CID 155731585
N-[2-[6-[2-[(7-chloroquinolin-4-yl)amino]ethyl]piperidin-2-yl]ethyl]-7-methylquinolin-4-amine
CID 58223351
N'-(7-chloroquinolin-4-yl)-N-ethylethane-1,2-diamine
CID 44543907
2-[(7-chloroquinolin-4-yl)amino]-1-cyclopropylethanol
CID 63296139
7-chloro-N-[2-(6-methyl-3-pyridinyl)ethyl]quinolin-4-amine
CID 133354915

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[[5-(4-methylphenyl)-1H-imidazol-2-yl]methyl]quinolin-4-amine?
The IUPAC name of 7-chloro-N-[[5-(4-methylphenyl)-1H-imidazol-2-yl]methyl]quinolin-4-amine (CID 71461745) is 7-chloro-N-[[5-(4-methylphenyl)-1H-imidazol-2-yl]methyl]quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-[[5-(4-methylphenyl)-1H-imidazol-2-yl]methyl]quinolin-4-amine?
The canonical SMILES for 7-chloro-N-[[5-(4-methylphenyl)-1H-imidazol-2-yl]methyl]quinolin-4-amine is Cc1ccc(-c2cnc(CNc3ccnc4cc(Cl)ccc34)[nH]2)cc1.
What is the InChIKey of 7-chloro-N-[[5-(4-methylphenyl)-1H-imidazol-2-yl]methyl]quinolin-4-amine?
The InChIKey is MRPQZBSRTQJOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4/c1-13-2-4-14(5-3-13)19-11-24-20(25-19)12-23-17-8-9-22-18-10-15(21)6-7-16(17)18/h2-11H,12H2,1H3,(H,22,23)(H,24,25).
What are the key properties of 7-chloro-N-[[5-(4-methylphenyl)-1H-imidazol-2-yl]methyl]quinolin-4-amine?
7-chloro-N-[[5-(4-methylphenyl)-1H-imidazol-2-yl]methyl]quinolin-4-amine has a molecular weight of 348.84 g/mol, XLogP of 5.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[[5-(4-methylphenyl)-1H-imidazol-2-yl]methyl]quinolin-4-amine is sourced from PubChem (CID 71461745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).